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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,2-dioctadecanoyl-3-(9Z-octadecenoyl)-sn-glycerol
|
889.50
|
24.3
|
0
|
6
|
78.9
|
55
|
|
|
1-octadecanoyl-2,3-di-(9Z-octadecenoyl)-sn-glycerol
|
887.40
|
23.3
|
0
|
6
|
78.9
|
54
|
|
|
Solbar
|
412.70
|
8.3
|
1
|
1
|
20.23
|
5
|
|
|
(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-ol
|
152.23
|
2.1
|
1
|
1
|
20.23
|
1
|
|
|
CID 160594
|
210.18
|
1.1
|
3
|
5
|
86.99
|
3
|
|
|
Anonaine
|
265.31
|
2.8
|
1
|
3
|
30.49
|
0
|
|
|
Integerrimide B
|
766.90
|
3.4
|
8
|
8
|
230.93
|
8
|
|
|
methyl (1S,2S,5E,7E)-2-acetyloxy-1-methyl-16-oxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate
|
404.50
|
4.1
|
0
|
6
|
78.9
|
5
|
|
|
Oroselol
|
244.24
|
2.1
|
1
|
4
|
63.58
|
1
|
|
|
3-Hydroxystigmast-5-en-7-one
|
428.70
|
8.3
|
1
|
2
|
37.3
|
6
|
|
|
8-Hydroxyhexadecanedioic acid
|
302.41
|
3.5
|
3
|
5
|
94.83
|
15
|
|
|
9S,10S,11R-trihydroxy-12Z,15Z-octadecadienoic acid
|
328.40
|
2.8
|
4
|
5
|
97.99
|
14
|
|
|
9R-hydroxy-10E,12Z-octadecadienoic acid
|
296.40
|
5.3
|
2
|
3
|
57.53
|
14
|
|
|
(1S,2S)-4-oxo-5-pentyl-2-cyclopentene-1-octanoic acid
|
294.40
|
5.4
|
1
|
3
|
54.37
|
12
|
|
|
4-Hydroxybenzyl isothiocyanate
|
165.21
|
2.8
|
1
|
3
|
64.68
|
2
|
|
|
{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-[(2-{[2-(icosanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
|
1062.10
|
3.9
|
9
|
22
|
418.36
|
38
|
|
|
Adonixanthin
|
582.90
|
10.6
|
2
|
3
|
57.53
|
10
|
|
|
Fritschiellaxanthin/(3S,3'R,6'R)-4-Ketolutein
|
582.90
|
10.7
|
2
|
3
|
57.53
|
10
|
|
|
Eschscholtzxanthone
|
564.80
|
10.6
|
1
|
2
|
37.3
|
9
|
|
|
19'-Hexanoyloxyisomytiloxanthin
|
713.00
|
10.4
|
2
|
6
|
100.9
|
18
|
|
|
Pectenolone
|
580.80
|
10.3
|
2
|
3
|
57.53
|
10
|
|
|
Pectenol A/(Pectenol)
|
582.90
|
9.5
|
3
|
3
|
60.69
|
10
|
|
|
Amarouciaxanthin B/Sidnyaxanthin
|
596.80
|
8.7
|
2
|
4
|
74.6
|
11
|
|
|
(12E,14E,16Z,18E,20E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,12,14,16,18,20,30-heptaene
|
549.00
|
16.7
|
0
|
0
|
0
|
22
|
|
|
15-cis-zeta-Carotene
|
540.90
|
15.5
|
0
|
0
|
0
|
18
|
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